N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide

C19H23F2N3O3 — CID 56553284

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1OC(F)F
InChIInChI=1S/C19H23F2N3O3/c1-26-15-8-7-13(10-16(15)27-19(20)21)18(25)22-17-11-14(23-24-17)9-12-5-3-2-4-6-12/h7-8,10-12,19H,2-6,9H2,1H3,(H2,22,23,24,25)
InChIKeyCFEKQJLJQHLIQB-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.39
Rot. Bonds7

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide (PubChem CID 56553284) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide
PubChem CID56553284
Molecular FormulaC19H23F2N3O3
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1OC(F)F
InChIInChI=1S/C19H23F2N3O3/c1-26-15-8-7-13(10-16(15)27-19(20)21)18(25)22-17-11-14(23-24-17)9-12-5-3-2-4-6-12/h7-8,10-12,19H,2-6,9H2,1H3,(H2,22,23,24,25)
InChIKeyCFEKQJLJQHLIQB-UHFFFAOYSA-N
XLogP4.39
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide
CID 126792996
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 56552927
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56552832
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 52690357
2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide
CID 55863420
5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 56553126
N-[4-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-4-oxobutyl]-4-fluorobenzamide
CID 56553027
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 126770556
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78903699
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56826864
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide (CID 56553284) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1OC(F)F.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide?
The InChIKey is CFEKQJLJQHLIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c1-26-15-8-7-13(10-16(15)27-19(20)21)18(25)22-17-11-14(23-24-17)9-12-5-3-2-4-6-12/h7-8,10-12,19H,2-6,9H2,1H3,(H2,22,23,24,25).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide has a molecular weight of 379.41 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide is sourced from PubChem (CID 56553284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).